N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

C13H19N3O3S3 — CID 90770865

IUPACN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C([C@@H]1C[C@H](CNS(=O)(=O)c2cccs2)CN1)N1CCSC1
InChIInChI=1S/C13H19N3O3S3/c17-13(16-3-5-20-9-16)11-6-10(7-14-11)8-15-22(18,19)12-2-1-4-21-12/h1-2,4,10-11,14-15H,3,5-9H2/t10-,11-/m0/s1
InChIKeyRVAKMMRJHMBUHN-QWRGUYRKSA-N
MW361.51 g/mol
LogP0.54
Rot. Bonds5

About N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 90770865) has the molecular formula C13H19N3O3S3 and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID90770865
Molecular FormulaC13H19N3O3S3
Molecular Weight361.51 g/mol
Exact Mass361.06
IUPAC NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C([C@@H]1C[C@H](CNS(=O)(=O)c2cccs2)CN1)N1CCSC1
InChIInChI=1S/C13H19N3O3S3/c17-13(16-3-5-20-9-16)11-6-10(7-14-11)8-15-22(18,19)12-2-1-4-21-12/h1-2,4,10-11,14-15H,3,5-9H2/t10-,11-/m0/s1
InChIKeyRVAKMMRJHMBUHN-QWRGUYRKSA-N
XLogP0.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 69239431
4-bromo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238518
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
CID 69240573
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42475731
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45252310
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (CID 90770865) is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is O=C([C@@H]1C[C@H](CNS(=O)(=O)c2cccs2)CN1)N1CCSC1.
What is the InChIKey of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is RVAKMMRJHMBUHN-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O3S3/c17-13(16-3-5-20-9-16)11-6-10(7-14-11)8-15-22(18,19)12-2-1-4-21-12/h1-2,4,10-11,14-15H,3,5-9H2/t10-,11-/m0/s1.
What are the key properties of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90770865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).